Tzuhsiung Yang

发表

Catalyst-Controlled and Tunable, Chemoselective Silver-Catalyzed Intermolecular Nitrene Transfer: Experimental and Computational Studies.

J. Schomaker, Ryan J. Scamp, Nicholas S. Dolan, 2016, Journal of the American Chemical Society.

A Quantitative Uncertainty Metric Controls Error in Neural Network-Driven Chemical Discovery

H. Kulik, J. Janet, A. Nandy, 2019 .

Designing in the Face of Uncertainty: Exploiting Electronic Structure and Machine Learning Models for Discovery in Inorganic Chemistry.

F. Liu, H. Kulik, J. Janet, 2019, Inorganic chemistry.

Seeing Is Believing: Experimental Spin States from Machine Learning Model Structure Predictions

Michael G. Taylor, H. Kulik, J. Janet, 2020, The journal of physical chemistry. A.

Bridging the Homogeneous-Heterogeneous Divide: Modeling Spin for Reactivity in Single Atom Catalysis

H. Kulik, Akash Bajaj, Tzuhsiung Yang, 2019, Front. Chem..

Thioether-ligated iron(II) and iron(III)-hydroperoxo/alkylperoxo complexes with an H-bond donor in the second coordination sphere.

S. D. de Visser, Devesh Kumar, Tzuhsiung Yang, 2014, Dalton transactions.

Seeing Is Believing: Experimental Spin States from Machine Learning Model Structure Predictions

Michael G. Taylor, H. Kulik, J. Janet, 2020, The journal of physical chemistry. A.

A quantitative uncertainty metric controls error in neural network-driven chemical discovery

H. Kulik, J. Janet, A. Nandy, 2019, Chemical science.

A Quantitative Uncertainty Metric Controls Error in Neural Network-Driven Chemical Discovery

H. Kulik, J. Janet, A. Nandy, 2019 .

Active learning and neural network potentials accelerate molecular screening of ether-based solvate ionic liquids.

Wujie Wang, Tzuhsiung Yang, Rafael Gómez-Bombarelli, 2020, Chemical communications.

A Synthetic Oxygen Atom Transfer Photocycle from a Diruthenium Oxyanion Complex.

Tzuhsiung Yang, J. Berry, J. Pap, 2016, Journal of the American Chemical Society.

Rh2(II,III) Catalysts with Chelating Carboxylate and Carboxamidate Supports: Electronic Structure and Nitrene Transfer Reactivity.

D. Musaev, J. Du Bois, Tzuhsiung Yang, 2016, Journal of the American Chemical Society.

Comparison of Reactivity and Enantioselectivity between Chiral Bimetallic Catalysts: Bismuth–Rhodium- and Dirhodium-Catalyzed Carbene Chemistry

D. Musaev, Tzuhsiung Yang, J. Berry, 2018, ACS Catalysis.

Inverting Steric Effects: Using "Attractive" Noncovalent Interactions To Direct Silver-Catalyzed Nitrene Transfer.

Minxue Huang, J. Schomaker, Tzuhsiung Yang, 2017, Journal of the American Chemical Society.

Dramatically Accelerated Selective Oxygen-Atom Transfer by a Nonheme Iron(IV)-Oxo Complex: Tuning of the First and Second Coordination Spheres

O. Troeppner, I. Ivanović‐Burmazović, Tzuhsiung Yang, 2014, Journal of the American Chemical Society.

Oxygen-Atom Transfer Reactivity of Axially Ligated Mn(V)–Oxo Complexes: Evidence for Enhanced Electrophilic and Nucleophilic Pathways

Michael T. Green, S. D. de Visser, Tzuhsiung Yang, 2014, Journal of the American Chemical Society.

High-Valent Manganese-Oxo Valence Tautomers and the Influence of Lewis/Brönsted Acids on C-H Bond Cleavage.

Tzuhsiung Yang, Regina A Baglia, Pannee Leeladee, 2016, Inorganic chemistry.

Reusability report: Designing organic photoelectronic molecules with descriptor conditional recurrent neural networks

Rafael Gómez-Bombarelli, Somesh Mohapatra, Tzuhsiung Yang, 2020, Nature Machine Intelligence.

Automated patent extraction powers generative modeling in focused chemical spaces

Tzuhsiung Yang, Akshay Subramanian, Rafael G'omez-Bombarelli, 2023, ArXiv.

Singlet versus Triplet Reactivity in an Mn(V)-Oxo Species: Testing Theoretical Predictions Against Experimental Evidence.

S. D. de Visser, Tzuhsiung Yang, M. Quesne, 2016, Journal of the American Chemical Society.

Dramatic Influence of an Anionic Donor on the Oxygen-Atom Transfer Reactivity of a MnV–Oxo Complex

S. DeBeer, Tzuhsiung Yang, K. Lancaster, 2014, Chemistry.

Inverse design of ligands using a deep generative model semi‐supervised by a data‐driven ligand field strength metric

Tzuhsiung Yang, Zhi‐Hang Lee, Po Chuan Lin, 2023, Journal of the Chinese Chemical Society.

Automated patent extraction powers generative modeling in focused chemical spaces

Tzuhsiung Yang, Akshay Subramanian, Rafael G'omez-Bombarelli, 2023, Digital Discovery.

Reversible O-O Bond Scission and O2 Evolution at MOF-Supported Tetramanganese Clusters.

H. Kulik, M. Dincǎ, Tianyang Chen, 2023, Journal of the American Chemical Society.